# generated using pymatgen data_Lu20(HgBi3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01181713 _cell_length_b 9.21369618 _cell_length_c 11.76033073 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.88887629 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu20(HgBi3)3 _chemical_formula_sum 'Lu20 Hg3 Bi9' _cell_volume 868.12774015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 0.03546084 0.25000000 0.50808079 1.0 Lu Lu1 1 0.96381616 0.75000000 0.49193033 1.0 Lu Lu2 1 0.46176760 0.75000000 0.00768848 1.0 Lu Lu3 1 0.52192638 0.25000000 0.99120528 1.0 Lu Lu4 1 0.34952761 0.25000000 0.29179585 1.0 Lu Lu5 1 0.65341986 0.75000000 0.70682918 1.0 Lu Lu6 1 0.14455103 0.75000000 0.79164544 1.0 Lu Lu7 1 0.84656603 0.25000000 0.21648351 1.0 Lu Lu8 1 0.19684821 0.25000000 0.77910245 1.0 Lu Lu9 1 0.81692478 0.75000000 0.21266495 1.0 Lu Lu10 1 0.31970686 0.75000000 0.28751836 1.0 Lu Lu11 1 0.67907373 0.25000000 0.70953422 1.0 Lu Lu12 1 0.19312189 0.05427469 0.06265558 1.0 Lu Lu13 1 0.80929723 0.92818070 0.94133889 1.0 Lu Lu14 1 0.31324016 0.93822517 0.55858221 1.0 Lu Lu15 1 0.80929723 0.57181930 0.94133889 1.0 Lu Lu16 1 0.68645709 0.06199720 0.44430244 1.0 Lu Lu17 1 0.19312189 0.44572531 0.06265558 1.0 Lu Lu18 1 0.68645709 0.43800280 0.44430244 1.0 Lu Lu19 1 0.31324016 0.56177483 0.55858221 1.0 Hg Hg20 1 0.40469581 0.25000000 0.53713978 1.0 Hg Hg21 1 0.59258188 0.75000000 0.46141916 1.0 Hg Hg22 1 0.09117441 0.75000000 0.03832503 1.0 Bi Bi23 1 0.90792640 0.25000000 0.95726893 1.0 Bi Bi24 1 0.05744222 0.00032411 0.32273013 1.0 Bi Bi25 1 0.94301992 0.00074340 0.67688359 1.0 Bi Bi26 1 0.44443967 0.99848739 0.82307072 1.0 Bi Bi27 1 0.94301992 0.49925660 0.67688359 1.0 Bi Bi28 1 0.55999753 0.00172763 0.17612057 1.0 Bi Bi29 1 0.05744222 0.49967589 0.32273013 1.0 Bi Bi30 1 0.55999753 0.49827237 0.17612057 1.0 Bi Bi31 1 0.44443967 0.50151261 0.82307072 1.0